[gmx-users] Uncorrelated Samples, MBAR free energy calculations.

Javad Noroozi Javad.Noroozi at outlook.com
Mon Jan 15 22:46:50 CET 2018


Dear All,


I am getting very low number of uncorrelated samples at endpoint of electrostatics transformation.

Anyone is familiar with MBAR pyhton script?


Javad


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